Input 01-octopus_basics-getting_started.02-H_atom_spin.inp

Commits > Commit f1dbe11076ccb3bb542605fe66566061d8720041 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Eigenvalue -2.690940000000000e-01 -2.690730000000000e-01 1.000000000000000e-04 -2.099999999999325e-05 PASS
Total Energy -4.794293800000000e-01 -4.794138200000000e-01 1.000000000000000e-04 -1.556000000002555e-05 PASS
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